Record Information |
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Version | 2.0 |
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Created at | 2024-09-10 00:07:00 UTC |
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Updated at | 2024-09-10 00:07:00 UTC |
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NP-MRD ID | NP0334543 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Syringic acid glucuronide |
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Description | NULL |
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Structure | [H][C@@]1(OC2=C(OC)C=C(C=C2OC)C(O)=O)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O InChI=1S/C15H18O11/c1-23-6-3-5(13(19)20)4-7(24-2)11(6)25-15-10(18)8(16)9(17)12(26-15)14(21)22/h3-4,8-10,12,15-18H,1-2H3,(H,19,20)(H,21,22)/t8-,9-,10+,12-,15+/m0/s1 |
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Synonyms | Value | Source |
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Syringate glucuronide | Generator | (2S,3S,4S,5R,6S)-6-(4-Carboxy-2,6-dimethoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylate | Generator |
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Chemical Formula | C15H18O11 |
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Average Mass | 374.2980 Da |
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Monoisotopic Mass | 374.08491 Da |
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IUPAC Name | (2S,3S,4S,5R,6S)-6-(4-carboxy-2,6-dimethoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid |
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Traditional Name | (2S,3S,4S,5R,6S)-6-(4-carboxy-2,6-dimethoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]1(OC2=C(OC)C=C(C=C2OC)C(O)=O)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O |
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InChI Identifier | InChI=1S/C15H18O11/c1-23-6-3-5(13(19)20)4-7(24-2)11(6)25-15-10(18)8(16)9(17)12(26-15)14(21)22/h3-4,8-10,12,15-18H,1-2H3,(H,19,20)(H,21,22)/t8-,9-,10+,12-,15+/m0/s1 |
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InChI Key | WOGNQDHJFYPQMD-YGMDGNCASA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Tannins |
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Sub Class | Hydrolyzable tannins |
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Direct Parent | Hydrolyzable tannins |
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Alternative Parents | |
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Substituents | - Hydrolyzable tannin
- Phenolic glycoside
- O-glucuronide
- 1-o-glucuronide
- Glucuronic acid or derivatives
- Gallic acid or derivatives
- Hexose monosaccharide
- O-glycosyl compound
- M-methoxybenzoic acid or derivatives
- Glycosyl compound
- M-dimethoxybenzene
- Dimethoxybenzene
- Benzoic acid or derivatives
- Benzoic acid
- Phenol ether
- Methoxybenzene
- Phenoxy compound
- Anisole
- Benzoyl
- Alkyl aryl ether
- Beta-hydroxy acid
- Oxane
- Hydroxy acid
- Monocyclic benzene moiety
- Pyran
- Benzenoid
- Monosaccharide
- Dicarboxylic acid or derivatives
- Secondary alcohol
- Carboxylic acid
- Carboxylic acid derivative
- Polyol
- Acetal
- Organoheterocyclic compound
- Oxacycle
- Ether
- Organooxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Alcohol
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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